| MolName | 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide |
| MolecularFormula | C16H25N2O5ClS |
| Smiles | CC(C)OCCCNC(CN(C)S(c(cc1)cc(Cl)c1OC)(=O)=O)=O |
| InChI | InChI=1S/C16H25ClN2O5S/c1-12(2)24-9-5-8-18-16(20)11-19(3)25(21,22)13-6-7-15(23-4)14(17)10-13/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,18,20) |
| InChIK | WZYRRWWQIRBHQF-UHFFFAOYSA-N |
| TotalMolweight | 392.903 |
| Molweight | 392.903 |
| MonoisotopicMass | 392.11727 |
| CLogP | 1.6254 |
| CLogS | -2.145 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.35 |
| Relative PSA | 0.26122 |
| PolarSurfaceArea | 93.32 |
| Druglikeness | 4.6745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide | 2 - 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-propan-2-yloxypropyl)acetamide